Ta2O5
Tantalum pentoxide · Tantalum(V) oxide
Tantalum pentoxide is a chemically stable, insulating oxide widely used as a high-dielectric material in capacitors and optical coatings.
About Tantalum pentoxide
Tantalum pentoxide is a robust and thermodynamically stable binary oxide that serves as a cornerstone material in modern dielectric applications. Its insulating nature and high chemical resistance make it an essential component for thin-film technology and high-performance electronic devices. The material is characterized by its significant structural diversity, with numerous reported configurations that allow engineers to tune its properties for specific technical requirements. Its reliability and stability ensure it remains a preferred choice for demanding environments where consistent dielectric performance is critical.
Key Properties
Cross-validated computational properties for Tantalum pentoxide, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ta2O5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Ta2O5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.18 | 0.0000 | -3.043 | — |
| C2/c (No. 15) | monoclinic | 3.07 | 0.0000 | -10.271 | 8.73 |
| — | — | 2.47 | 0.0000 | -3.144 | — |
| — | — | 2.51 | 0.0024 | -3.141 | — |
| — | — | 3.21 | 0.0134 | -3.130 | — |
| Pmmn (No. 59) | orthorhombic | 2.76 | 0.0136 | -10.258 | 7.56 |
| P2/m (No. 10) | monoclinic | 2.34 | 0.0139 | -10.257 | 7.57 |
| Pmmn (No. 59) | orthorhombic | 2.39 | 0.0147 | -10.257 | 7.62 |
| — | — | 1.36 | 0.0160 | -3.128 | — |
| Pmmn (No. 59) | orthorhombic | 2.34 | 0.0280 | -3.015 | — |
| Cmmm (No. 65) | orthorhombic | 2.22 | 0.0282 | -3.015 | — |
| C2/m (No. 12) | monoclinic | 2.24 | 0.0419 | -3.001 | — |
Applications
Where Tantalum pentoxide is used.
Patent Landscape
15 patents reference Ta2O5 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6863725 | Method of forming a Ta2O5 comprising layer | — | — |
| 7297646 | Ceramics comprising Al2O3, REO, ZrO2 and/or HfO2, and Nb2O5 and/or Ta2O5 and methods of making the same | — | — |
| 6537925 | Method for forming Ta2O5 dielectric layer using plasma enhanced atomic layer deposition | — | — |
| 6958301 | Method for forming Ta2O5 dielectric layer by using in situ N2O plasma treatment | — | — |
| 12268033 | Self-powered ultraviolet photodetection performance using Au/Ta2O5/GAN: metal-insulator-semiconductor (MIS) he | — | — |
| 6919283 | Fabrication of pure and modified Ta2O5 thin film with enhanced properties for microwave communication, dynamic | — | — |
| 6555394 | Methods of fabricating capacitors including Ta2O5 layers in a chamber including changing a Ta2O5 layer to heat | — | — |
| 9376744 | Phase-difference element having birefringent film containing TiO2 and Ta2O5 | — | — |
| 7141523 | Ceramics comprising Al2O3, REO, ZrO2 and/or HfO2, and Nb2O5 and/or Ta2O5 and methods of making the same | — | — |
| 11873248 | Modified NiO-Ta2O5-based microwave dielectric ceramic material sintered at low temperature and its preparation | — | — |
Frequently Asked Questions
Common questions about Tantalum pentoxide, answered from cross-validated data.
What is Ta2O5?
Tantalum pentoxide is a chemically stable, insulating oxide widely used as a high-dielectric material in capacitors and optical coatings.
What is Ta2O5 used for?
What is the band gap of Ta2O5?
Is Ta2O5 a metal, semiconductor, or insulator?
Is Ta2O5 thermodynamically stable?
What is the crystal structure of Ta2O5?
What is the density of Ta2O5?
How many polymorphs of Ta2O5 are known?
What elements does Ta2O5 contain?
Where does the data for Ta2O5 come from?
How It Compares
As a standalone binary oxide, tantalum pentoxide represents a benchmark for stability and insulating performance within the broader family of transition metal oxides used in microelectronics.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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